Back to the main page of this manual | Input reference of CP2K version 2.6.2 (Revision svn:15893) |
ACCURACY {Real} | |
Final accuracy requested in optimization (RHOEND) | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value: 1.00000000E-05 |
ITER_START_VAL {Integer} | |
Used for restarting, starting value of the iteration | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value: 0 |
MAX_FUN {Integer} | |
Maximum number of function evaluations | |
This keyword cannot be repeated and it expects precisely one integer. | |
Default value: 5000 |
METHOD {Keyword} | |
What kind of input optimization to perform. | |
This keyword cannot be repeated and it expects precisely one keyword. | |
Default value: FORCE_MATCHING | |
List of valid keywords:
|
RANDOMIZE_VARIABLES {Real} | |
Percentage randomization of the free variables applied initially | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value: 0.00000000E+00 |
STEP_SIZE {Real} | |
Initial step size for search algorithm (RHOBEG) | |
This keyword cannot be repeated and it expects precisely one real. | |
Default value: 5.00000000E-02 |
Back to the main page of this manual or the CP2K home page | (Last update: 29.10.2015) |